2-(4-Aminophenyl)benzothiazole - CAS 6278-73-5

Catalog:	BB031799
Product Name:	2-(4-Aminophenyl)benzothiazole
CAS:	6278-73-5
Synonyms:	4-(1,3-benzothiazol-2-yl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(1,3-benzothiazol-2-yl)aniline
Description:	2-(4-Aminophenyl)benzothiazole (CAS# 6278-73-5) is a useful research chemical.
Molecular Weight:	226.30
Molecular Formula:	C13H10N2S
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N
InChI:	InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2
InChI Key:	WKRCOZSCENDENK-UHFFFAOYSA-N
Boiling Point:	423.3 °C at 760 mmHg
Density:	1.301 g/cm³
MDL:	MFCD00182896
LogP:	4.12670

Publication Number	Title	Priority Date
CN-113372293-A	Preparation method of 2-phenylbenzothiazole derivative	20210625
KR-102260561-B1	Composition For Capping Layer of Organic Light Emitting Diode and Organic Light Emitting Diode Having The Same	20210114
KR-102212689-B1	Composition For Capping Layer of Organic Light Emitting Diode and Organic Light Emitting Diode Having The Same	20200825
KR-20210111971-A	An organic electronic element comprising a layer for improving light efficiency, and an electronic device comprising the same	20200304
WO-2021177616-A1	Organic electronic device comprising capping layer, and electronic apparatus comprising same	20200304

PMID	Publication Date	Title	Journal
21603239	20110101	SPECT Imaging Agents for Detecting Cerebral β-Amyloid Plaques	International journal of molecular imaging
20637639	20100815	Synthesis, and biological evaluation of 2-(4-aminophenyl)benzothiazole derivatives as photosensitizing agents	Bioorganic & medicinal chemistry
20670034	20100806	Characterization of the 4-(benzothiazol-2-yl)phenylnitrenium ion from a putative metabolite of a model antitumor drug	The Journal of organic chemistry
20518489	20100624	Evaluation of Re and (99m)Tc complexes of 2-(4'-aminophenyl)benzothiazole as potential breast cancer radiopharmaceuticals	Journal of medicinal chemistry
19788283	20091105	Indirect and direct detection of the 4-(benzothiazol-2-yl)phenylnitrenium ion from a putative metabolite of a model anti-tumor drug	Organic letters

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GHS Hazard Statement:	H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.05646950
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.05646950
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6